(2E)-2-amino-N'-[2-(4-propylpiperazin-1-yl)ethyl]-2-(1H-pyridin-2-ylidene)ethanimidamide

C16H28N6 — CID 137215412

IUPAC(2E)-2-amino-N'-[2-(4-propylpiperazin-1-yl)ethyl]-2-(1H-pyridin-2-ylidene)ethanimidamide
SMILESCCCN1CCN(CC/N=C(N)/C(N)=C2/C=CC=CN2)CC1
InChIInChI=1S/C16H28N6/c1-2-8-21-10-12-22(13-11-21)9-7-20-16(18)15(17)14-5-3-4-6-19-14/h3-6,19H,2,7-13,17H2,1H3,(H2,18,20)/b15-14+
InChIKeyQSMJHDYTRIQYCQ-CCEZHUSRSA-N
MW304.44 g/mol
LogP0.21
Rot. Bonds6

About (2E)-2-amino-N'-[2-(4-propylpiperazin-1-yl)ethyl]-2-(1H-pyridin-2-ylidene)ethanimidamide

(2E)-2-amino-N'-[2-(4-propylpiperazin-1-yl)ethyl]-2-(1H-pyridin-2-ylidene)ethanimidamide (PubChem CID 137215412) has the molecular formula C16H28N6 and a molecular weight of 304.44 g/mol. Its IUPAC name is (2E)-2-amino-N'-[2-(4-propylpiperazin-1-yl)ethyl]-2-(1H-pyridin-2-ylidene)ethanimidamide.

Molecular Properties

Compound Name(2E)-2-amino-N'-[2-(4-propylpiperazin-1-yl)ethyl]-2-(1H-pyridin-2-ylidene)ethanimidamide
PubChem CID137215412
Molecular FormulaC16H28N6
Molecular Weight304.44 g/mol
Exact Mass304.24
IUPAC Name(2E)-2-amino-N'-[2-(4-propylpiperazin-1-yl)ethyl]-2-(1H-pyridin-2-ylidene)ethanimidamide
SMILESCCCN1CCN(CC/N=C(N)/C(N)=C2/C=CC=CN2)CC1
InChIInChI=1S/C16H28N6/c1-2-8-21-10-12-22(13-11-21)9-7-20-16(18)15(17)14-5-3-4-6-19-14/h3-6,19H,2,7-13,17H2,1H3,(H2,18,20)/b15-14+
InChIKeyQSMJHDYTRIQYCQ-CCEZHUSRSA-N
XLogP0.21
TPSA82.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-methyl-1-[(2R)-3-piperazin-1-ylbutan-2-yl]pyridin-2-imine
CID 174250061
5-Piperazin-1-yl-1-prop-1-en-2-ylpyridin-2-imine
CID 123260475
(1E)-2-(4,4-dimethylpiperazin-4-ium-1-yl)-2-imino-1-(1H-pyridin-2-ylidene)ethanamine
CID 137215408
2-[[(2E)-1,2-diamino-2-(1H-pyridin-2-ylidene)ethylidene]amino]ethyl-trimethylazanium
CID 137215411
(2E)-2-[1-amino-2-imino-2-(4-methylpiperazin-1-yl)ethylidene]-N,N-dimethyl-1H-pyridin-3-amine
CID 137215416
N'-[2-[(1-methyl-2H-pyridin-4-yl)amino]ethyl]ethanimidamide
CID 142175218
1-cyano-N'-[(1E,3Z)-5-(2,6-dimethylidenepiperazin-1-yl)-4-(2,2-dimethylpropylamino)penta-1,3-dienyl]-N-methylidenemethanimidamide
CID 142217327
ethane;(2E)-1-methylimino-1-piperazin-1-yl-N-propan-2-ylpenta-2,4-dien-2-amine
CID 144239693
(2E)-2-amino-2-(1H-pyridin-2-ylidene)-N'-(2-pyrrolidin-1-ylethyl)ethanimidamide
CID 145512323
(2Z)-2-(4,5-dimethylpiperazin-2-ylidene)-N'-methylethanimidamide
CID 148190135
N'-[(1E)-2-piperazin-1-ylbuta-1,3-dienyl]ethanimidamide
CID 171660727
7-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine
CID 175946614

Frequently Asked Questions

What is the IUPAC name of (2E)-2-amino-N'-[2-(4-propylpiperazin-1-yl)ethyl]-2-(1H-pyridin-2-ylidene)ethanimidamide?
The IUPAC name of (2E)-2-amino-N'-[2-(4-propylpiperazin-1-yl)ethyl]-2-(1H-pyridin-2-ylidene)ethanimidamide (CID 137215412) is (2E)-2-amino-N'-[2-(4-propylpiperazin-1-yl)ethyl]-2-(1H-pyridin-2-ylidene)ethanimidamide.
What is the SMILES notation for (2E)-2-amino-N'-[2-(4-propylpiperazin-1-yl)ethyl]-2-(1H-pyridin-2-ylidene)ethanimidamide?
The canonical SMILES for (2E)-2-amino-N'-[2-(4-propylpiperazin-1-yl)ethyl]-2-(1H-pyridin-2-ylidene)ethanimidamide is CCCN1CCN(CC/N=C(N)/C(N)=C2/C=CC=CN2)CC1.
What is the InChIKey of (2E)-2-amino-N'-[2-(4-propylpiperazin-1-yl)ethyl]-2-(1H-pyridin-2-ylidene)ethanimidamide?
The InChIKey is QSMJHDYTRIQYCQ-CCEZHUSRSA-N. The full InChI is InChI=1S/C16H28N6/c1-2-8-21-10-12-22(13-11-21)9-7-20-16(18)15(17)14-5-3-4-6-19-14/h3-6,19H,2,7-13,17H2,1H3,(H2,18,20)/b15-14+.
What are the key properties of (2E)-2-amino-N'-[2-(4-propylpiperazin-1-yl)ethyl]-2-(1H-pyridin-2-ylidene)ethanimidamide?
(2E)-2-amino-N'-[2-(4-propylpiperazin-1-yl)ethyl]-2-(1H-pyridin-2-ylidene)ethanimidamide has a molecular weight of 304.44 g/mol, XLogP of 0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-amino-N'-[2-(4-propylpiperazin-1-yl)ethyl]-2-(1H-pyridin-2-ylidene)ethanimidamide is sourced from PubChem (CID 137215412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).